Cas no 22373-75-7 (2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-, (4S)-)
22373-75-7 structure
Product Name:2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-, (4S)-
CAS No:22373-75-7
MF:C9H12O2
MW:152.190382957458
CID:279296
PubChem ID:12225760
Update Time:2024-02-29
2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-, (4S)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-, (4S)-
- 2-allyl-3-methyl-4-hydroxy-2-cyclopenten-1-one
- (+)-Allethrolone
- (S)-4-Hydroxy-3-methyl-2-(2-propenyl)-2-cyclopenten-1-one
- (S)-Allethrolone
- 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-, (S)-
- 2-Cyclopenten-1-one, 4-hydroxy-3-methyl-2-(2-propenyl)-,(4S)- (9CI)
- 2-Cyclopenten-1-one,2-allyl-4-hydroxy-3-methyl- (8CI)
- d-Allethrolone
- S-(+)-Allethrolone
-
- Inchi： InChI=1S/C9H12O2/c1-3-4-7-6(2)8(10)5-9(7)11/h3,8,10H,1,4-5H2,2H3
- InChI Key： KZYVOZABVXLALY-UHFFFAOYSA-N
- SMILES： C=CCC1C(=O)CC(O)C=1C
Computed Properties
- Exact Mass: 152.08376
- Monoisotopic Mass: 152.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 226
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
2-Cyclopenten-1-one,4-hydroxy-3-methyl-2-(2-propen-1-yl)-, (4S)- Related Literature
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F. E. Rickett,P. B. Henry Analyst 1974 99 330
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Matthew J. Palframan,Gerald Pattenden Chem. Commun. 2014 50 7223
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Muhammad Moniruzzaman,Noriho Kamiya,Masahiro Goto Org. Biomol. Chem. 2010 8 2887
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L. Crombie,J. A. Ellis,R. Gould,Gerald Pattenden,M. Elliott,N. F. Janes,K. A. Jeffs J. Chem. Soc. C 1971 9
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Mengmeng Cao,Ming Li,Xu Yan,Minghua Wang Anal. Methods 2012 4 534
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